O-butyl aminosulfanylmethanethioate
TL;DR: O-butyl aminosulfanylmethanethioate (CAS 35659-81-5) is a chemical compound with molecular formula C5H11NOS2 and molecular weight 165.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-butyl aminosulfanylmethanethioate
Also Known As: 1-([ butane, O-butyl aminosulfanylmethanethioate, S-(Buthoxythiocarbonyl)thiohydroxylamine, S-(butoxycarbonothioyl)thiohydroxylamine, (AMINOSULFANYL)(BUTOXY)METHANETHIONE
| Molecular Formula | C5H11NOS2 |
|---|---|
| Molecular Weight | 165.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 165.02821 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 35659-81-5 |
|---|---|
| SMILES | CCCCOC(=S)SN |
| InChIKey | OTTFNANZBPPMFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-butyl aminosulfanylmethanethioate (CAS 35659-81-5), with molecular formula C5H11NOS2 and molecular weight 165.03 g/mol. IUPAC: O-butyl aminosulfanylmethanethioate.
Chemical Property Profile of O-butyl aminosulfanylmethanethioate
Property Insights of O-butyl aminosulfanylmethanethioate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-butyl aminosulfanylmethanethioate. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for O-butyl aminosulfanylmethanethioate. Following Lipinski's Rule of Five, O-butyl aminosulfanylmethanethioate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-butyl aminosulfanylmethanethioate?
The CAS number of O-butyl aminosulfanylmethanethioate is 35659-81-5.
What is the molecular formula of O-butyl aminosulfanylmethanethioate?
The molecular formula of O-butyl aminosulfanylmethanethioate is C5H11NOS2.
What is the molecular weight of O-butyl aminosulfanylmethanethioate?
The molecular weight of O-butyl aminosulfanylmethanethioate is 165.03 g/mol.
Where can I buy O-butyl aminosulfanylmethanethioate?
You can request a quote for O-butyl aminosulfanylmethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-butyl aminosulfanylmethanethioate?
Yes, KEHONG BIO provides custom synthesis services for O-butyl aminosulfanylmethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.